Mrv1572004261610402D 77 76 0 0 1 0 999 V2000 4.2723 -6.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5771 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0697 -9.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5951 -8.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1469 -9.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3812 -5.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8144 -1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1439 -5.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1607 -1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7976 -5.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3980 -1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5603 -5.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7442 -1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6693 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9816 -1.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -4.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3278 -2.1884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5409 -3.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5651 -1.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 -2.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9114 -2.3771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9962 -1.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0204 -3.1949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3424 -1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 -1.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3666 -3.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9260 -1.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 -3.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1633 -1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9502 -3.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 -2.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5338 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 -3.7611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8364 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 -4.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 -4.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3546 -3.9498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 -5.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7009 -4.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 -4.7047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 -7.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7001 -7.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5218 -4.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -5.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 -4.8305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9382 -4.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5484 -5.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 -8.7126 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8293 -3.3207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -5.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -6.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4588 -7.7870 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2845 -4.6418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 -7.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6767 -6.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8946 -4.5159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 -6.9693 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.2529 -4.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 -6.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 -3.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8726 -0.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0857 -4.6418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4368 -3.0062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1245 -3.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1487 -2.0626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 -1.6852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7830 -3.5094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -2.6288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 -0.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 -2.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0591 -4.7047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7081 -2.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6379 -2.2513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 -5.1450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 21 2 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 45 44 1 0 0 0 0 48 46 1 0 0 0 0 48 47 1 0 0 0 0 49 42 1 0 0 0 0 50 43 1 0 0 0 0 51 3 1 0 0 0 0 51 4 1 0 0 0 0 51 5 1 0 0 0 0 51 44 1 0 0 0 0 52 49 2 0 0 0 0 53 50 2 0 0 0 0 56 46 1 0 0 0 0 56 49 1 0 0 0 0 57 45 1 0 0 0 0 58 47 1 0 0 0 0 48 59 1 6 0 0 0 59 50 1 0 0 0 0 60 54 2 0 0 0 0 60 55 1 0 0 0 0 60 57 1 0 0 0 0 60 58 1 0 0 0 0 61 8 1 0 0 0 0 62 10 1 0 0 0 0 63 14 1 0 0 0 0 64 15 1 0 0 0 0 65 16 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 21 1 0 0 0 0 69 22 1 0 0 0 0 70 23 1 0 0 0 0 71 25 1 0 0 0 0 72 27 1 0 0 0 0 73 28 1 0 0 0 0 74 30 1 0 0 0 0 75 31 1 0 0 0 0 76 33 1 0 0 0 0 48 77 1 6 0 0 0 M CHG 2 51 1 55 -1 M END > CHEM037738 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(=O)O[C@]([H])(COC(=O)CCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP([O-])(=O)OCC[N+](C)(C)C > InChI=1S/C50H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25,27-28,30-31,33,48H,6-7,9,11-13,18-19,24,26,29,32,34-47H2,1-5H3/b10-8+,16-14+,17-15+,22-20+,23-21+,27-25+,30-28+,33-31+/t48-/m1/s1 > XRKOURBHCPRURX-CQLNJPBPSA-N > C50H84NO8P > 858.195 > 857.593455667 > 4 > 144 > 101.90139837943214 > 0 > 0 > 0 > 0 > (2-{[(2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 5.91 > 9.664109775861585 > -7.45 > 0 > 0 > 0 > 1.8550572064469137 > -6.744159316084171 > 111.19000000000001 > 270.80789999999996 > 42 > 0 > 3.21e-05 g/l > (2-{[(2R)-2-[(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(8E,11E,14E)-icosa-8,11,14-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium > 0 > PC(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) $$$$